methyl N-[1-(butylcarbamoyl)-5-(phenylsulfinyl)benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[1-(butylcarbamoyl)-5-(phenylsulfinyl)benzimidazol-2-yl]carbamate Openeye Name: methyl N-[5-(benzenesulfinyl)-1-(butylcarbamoyl)benzimidazol-2-yl]carbamate CAS Name: N-[5-(benzenesulfinyl)-1-[butylamino(oxo)methyl]-2-benzimidazolyl]carbamic acid methyl ester IUPAC Name: methyl N-[5-(benzenesulfinyl)-1-(butylcarbamoyl)benzimidazol-2-yl]carbamate Traditional Name: N-[5-(benzenesulfinyl)-1-(butylcarbamoyl)benzimidazol-2-yl]carbamic acid methyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1C2=C(C=C(C=C2)S(=O)C3=CC=CC=C3)N=C1NC(=O)OC

Isomeric SMILES

CCCCNC(=O)N1C2=C(C=C(C=C2)S(=O)C3=CC=CC=C3)N=C1NC(=O)OC

InChI

InChI=1S/C20H22N4O4S/c1-3-4-12-21-19(25)24-17-11-10-15(29(27)14-8-6-5-7-9-14)13-16(17)22-18(24)23-20(26)28-2/h5-11,13H,3-4,12H2,1-2H3,(H,21,25)(H,22,23,26)